CID 365297

Nsc632848

Structural Information

Molecular Formula
C19H18BrN5
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)Br
InChI
InChI=1S/C19H18BrN5/c1-15-14-18(25(12-2-10-21)13-3-11-22)8-9-19(15)24-23-17-6-4-16(20)5-7-17/h4-9,14H,2-3,12-13H2,1H3
InChIKey
DKQSXXDUZJNYDQ-UHFFFAOYSA-N
Compound name
3-[4-[(4-bromophenyl)diazenyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.07455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.08183 185.0
[M+Na]+ 418.06377 195.2
[M-H]- 394.06727 190.2
[M+NH4]+ 413.10837 194.6
[M+K]+ 434.03771 183.8
[M+H-H2O]+ 378.07181 170.6
[M+HCOO]- 440.07275 201.7
[M+CH3COO]- 454.08840 245.8
[M+Na-2H]- 416.04922 186.0
[M]+ 395.07400 190.3
[M]- 395.07510 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.